1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

C18H21FIN5 — CID 111783620

IUPAC1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1cn2c(C)cccc2n1)NCc1ccccc1F.I
InChIInChI=1S/C18H20FN5.HI/c1-13-6-5-9-17-23-15(12-24(13)17)11-22-18(20-2)21-10-14-7-3-4-8-16(14)19;/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22);1H
InChIKeyJALYEYJWUATREO-UHFFFAOYSA-N
MW453.30 g/mol
LogP3.27
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111783620) has the molecular formula C18H21FIN5 and a molecular weight of 453.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111783620
Molecular FormulaC18H21FIN5
Molecular Weight453.30 g/mol
Exact Mass453.08
IUPAC Name1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1cn2c(C)cccc2n1)NCc1ccccc1F.I
InChIInChI=1S/C18H20FN5.HI/c1-13-6-5-9-17-23-15(12-24(13)17)11-22-18(20-2)21-10-14-7-3-4-8-16(14)19;/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22);1H
InChIKeyJALYEYJWUATREO-UHFFFAOYSA-N
XLogP3.27
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111787729
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109432154
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265567
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111787430
2-methyl-1-(5-methylhexan-2-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111782358
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111783311
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111785626
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111783819
tert-butyl 3-[[N'-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465599
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111266676
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111787077
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111265058

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (CID 111783620) is 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is C/N=C(/NCc1cn2c(C)cccc2n1)NCc1ccccc1F.I.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is JALYEYJWUATREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5.HI/c1-13-6-5-9-17-23-15(12-24(13)17)11-22-18(20-2)21-10-14-7-3-4-8-16(14)19;/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 453.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111783620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).